%chk=000215548.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000215548

0 1
S 0.704475 0.626906 -1.801109
P 1.282113 -0.156920 0.286533
O 2.575036 0.802746 0.881419
O 2.043839 -1.673041 -0.035110
O 0.052900 -0.181029 1.306556
O -2.878721 1.610146 -2.051781
N -2.277890 0.425013 -0.113432
C -3.581695 -0.247828 0.076354
C -3.367090 -1.766714 0.261428
C -4.344772 0.375950 1.269104
C -0.614960 1.871763 -1.175084
C -2.030821 1.284619 -1.158707
C 3.741291 1.184971 0.023218
C 1.232804 -2.931210 0.093706
C 4.813793 0.095649 -0.005744
C 0.416886 -3.219255 -1.167259
H -4.153061 -0.060851 -0.850700
H -1.515750 0.213562 0.553243
H -2.746493 -1.971376 1.154917
H -4.337326 -2.277427 0.396653
H -2.864503 -2.203407 -0.620250
H -4.499679 1.456718 1.107028
H -3.781357 0.241385 2.211646
H -5.333933 -0.103081 1.388280
H -0.576574 2.696069 -1.902297
H -0.297994 2.231110 -0.181271
H 3.372344 1.436233 -0.990827
H 4.103229 2.104925 0.511200
H 2.008540 -3.695597 0.263417
H 0.594349 -2.851008 0.992796
H 5.685411 0.458200 -0.583114
H 5.151960 -0.145910 1.016074
H 4.436008 -0.827247 -0.476536
H -0.072481 -4.206494 -1.067339
H -0.368694 -2.460824 -1.329406
H 1.066013 -3.245644 -2.058904


%chk=000215548-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000215548

0 1
S 0.728603 0.760514 -1.708581
P 1.367512 -0.177299 0.299272
O 2.694301 0.719331 0.914325
O 2.093497 -1.681327 -0.143392
O 0.174793 -0.253272 1.357373
O -2.912233 1.624451 -1.872542
N -2.267111 0.319540 -0.041772
C -3.568323 -0.376467 0.083687
C -3.342807 -1.777317 0.686743
C -4.561686 0.466573 0.919434
C -0.647689 1.902056 -1.001894
C -2.044509 1.263638 -1.013123
C 3.832557 1.151352 0.042195
C 1.267009 -2.933587 -0.064030
C 4.887883 0.054947 -0.106254
C 0.384395 -3.118045 -1.299380
H -3.975567 -0.467465 -0.941087
H -1.508078 0.092334 0.626669
H -2.896669 -1.707490 1.697028
H -4.305057 -2.311416 0.777240
H -2.669462 -2.381341 0.051522
H -4.699016 1.459211 0.457553
H -4.188846 0.603029 1.951435
H -5.547120 -0.032605 0.967830
H -0.648790 2.767511 -1.680901
H -0.337648 2.215210 0.009413
H 3.429526 1.480836 -0.935887
H 4.224896 2.029041 0.581659
H 2.036368 -3.719241 0.011088
H 0.675716 -2.909616 0.869934
H 5.741620 0.447819 -0.690386
H 5.261598 -0.262441 0.881883
H 4.479610 -0.828115 -0.625654
H -0.115184 -4.103841 -1.247360
H -0.394982 -2.339170 -1.367180
H 0.988091 -3.086234 -2.222158


